General Information of the Compound
| Compound ID |
CP0918698
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| Compound Name |
rac-Benzyl 1-butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate hydrochloride
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| Structure |
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| Formula |
C27H40ClN3O4
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| Molecular Weight |
506.087
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| Canonical SMILES |
CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(C(=O)OCc1ccccc1)CC2.Cl
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| InChI |
InChI=1S/C27H39N3O4.ClH/c1-2-3-16-30-24(31)23(19-21-10-6-4-7-11-21)28-25(32)27(30)14-17-29(18-15-27)26(33)34-20-22-12-8-5-9-13-22;/h5,8-9,12-13,21,23H,2-4,6-7,10-11,14-20H2,1H3,(H,28,32);1H
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| InChIKey |
ZWOHXLJDFDDWMU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound